SCHEMBL3669844

SCHEMBL3669844

Oc1nc2ncc(Cl)cc2n1Cc1ccccc1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 3/20 0.53
KDM4E B2RXH2 3/20 0.53
KDM4A O75164 1/20 0.53
HPGD P15428 1/20 0.53
TSHR P16473 1/20 0.53
HTT P42858 1/20 0.53
NPSR1 Q6W5P4 1/20 0.53
HSD17B10 Q99714 1/20 0.53
L3MBTL1 Q9Y468 1/20 0.53
SRC P12931 1/20 0.42
PGR P06401 2/20 0.40
ESR1 P03372 1/20 0.40
CCR9 P51686 2/20 0.39
KMT2A Q03164 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
GPR35 Q9HC97 1/20 0.39
GRM2 Q14416 1/20 0.39
CCR2 P41597 3/20 0.39
CYP1A2 P05177 1/20 0.39
CYP2C9 P11712 1/20 0.39

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3675668 0.81 SRC (0.41) ALDH1A1KDM4EKDM4AHPGDTSHR
SCHEMBL3674290 0.80 SRC (0.37) ALDH1A1KDM4EKDM4AHPGDTSHR
SCHEMBL3672462 0.79 HRH4 (0.36) HPGDHTTHSD17B10L3MBTL1TDP1
SCHEMBL3668536 0.78 SRC (0.40) KDM4EL3MBTL1SRCGRM2
SCHEMBL3668071 0.78 HPGD (0.38) KDM4EHPGDHTTHSD17B10TDP1
SCHEMBL3675941 0.78 KMT2A (0.42) HPGDHTTHSD17B10KMT2A
SCHEMBL3677182 0.77 CYP3A4 (0.41) HSD17B10CYP2C9CYP2C19
SCHEMBL3670211 0.77 KDM4E (0.39) ALDH1A1KDM4EKDM4AHPGDTSHR
SCHEMBL3666704 0.77 ALDH1A1 (0.40) ALDH1A1HPGDTSHRHTTHSD17B10
SCHEMBL3675608 0.77 LMNA (0.39) ALDH1A1KDM4EKDM4AHPGDTSHR

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 10 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US claimed
EP-2139478-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS Cytokinetics, Incorporated (US) 2010-01-06 EP claimed
WO-2008121333-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS CYTOKINETICS, INCORPORATED (US) 2008-10-09 WO claimed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US claimed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-7851484-B2 Certain chemical entities, compositions, and methods CYTOKINETICS, INC. (US) 2010-12-14 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US disclosed
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods CYTOKINETICS, INC. 2008-10-02 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080242695-A1 Certain Chemical Entities, Compositions, and Methods TNNC1, TNNI3, TNNT2 ALDH1A1 4750/4885KDM4E 4360/4885KDM4A 4527/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.